6-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 6-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-methoxycarbonylphenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-carbomethoxyphenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C14H10N3O6- MolecularWeight: 316.2457

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6/c1-23-13(19)9-5-2-8(3-6-9)4-7-10-11(17(21)22)12(18)16-14(20)15-10/h2-7H,1H3,(H2,15,16,18,20)/p-1/b7-4+